UCSF

ZINC36753825

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.76 5.94 -40.69 3 5 1 65 273.36 2
Lo Low (pH 4.5-6) 0.76 6.26 -113.91 4 5 2 66 274.368 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )